Abstract

The title compound, K+·C18H14N5O2S3 -·C3H7NO·0.5H2O, was obtained in a reaction designed to deliver a neutral 2-pyrimidylbenzo-thia-zole. The anion is deprotonated at the sulfonamide nitro-gen. The asymmetric unit of the title compound contains two potassium cations, two anions, two mol-ecules of DMF and one of water. The anions display some conformational differences but each contains an intra-molecular N-H⋯Nbenzo-thia-zole hydrogen bond. The potassium ions both display a highly irregular six-coordination, different for each potassium ion. The anions, together with the DMF and water mol-ecules, are linked by four classical hydrogen bonds to form chains parallel to the b-axis direction.

Highlights

  • The title compound, K+ÁC18H14N5O2S3ÀÁC3H7NOÁ0.5H2O, was obtained in a reaction designed to deliver a neutral 2-pyrimidylbenzothiazole

  • The anion is deprotonated at the sulfonamide nitrogen

  • The asymmetric unit contains two potassium cations, two anions of 4 deprotonated at the sulfonamide nitrogen, two molecules of DMF and one of water; it was chosen arbitrarily in an attempt to maximize the number of weak interactions within this unit

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Summary

Chemical context

Benzothiazoles are versatile heterocyclic biologically active compounds that are common in a variety of pharmaceutical preparations (Azzam et al, 2017a,b) These compounds are of great importance in the field of medicinal chemistry because of their remarkable pharmacological potential (Keri et al, 2015). We have described the syntheses of various antimetabolites starting from heterocyclic and acyclic cyanoketene dithioacetals (Elgemeie et al, 2015, 2016, 2017) Compound 5 and its derivatives showed interesting preclinical antiviral biological results compared to current antiviral drugs and are currently being patented (Elgemeie et al, 2018)

Structural commentary
Supramolecular features
Database survey
Synthesis and crystallization
Refinement

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